%mem=3000MB
%nprocshared=4
#p opt freq b3lyp/6-311+G(d) scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3nhcho-sh_6311+Gd_ch2cl2

-1 1
 N	-0.395967000	 0.231604000	 0.109548000
 H	-0.206554000	 0.488120000	-0.848954000
 C	 0.150572000	 0.974525000	 1.074176000
 O	 0.000377000	 0.774558000	 2.290074000
 H	 0.764561000	 1.805741000	 0.700547000
 C	-1.248850000	-0.920434000	 0.384173000
 H	-1.572724000	-1.348459000	-0.560804000
 H	-0.705453000	-1.680095000	 0.948510000
 H	-2.128440000	-0.623933000	 0.957803000
 S	-3.408556000	-3.818819000	-0.104511000
 H	-4.211252000	-4.908886000	-0.200299000




